(2-chlorophenyl)-[3-(5-chloropyrimidin-2-yl)oxypyrrolidin-1-yl]methanone

C15H13Cl2N3O2 — CID 119100517

IUPAC(2-chlorophenyl)-[3-(5-chloropyrimidin-2-yl)oxypyrrolidin-1-yl]methanone
SMILESO=C(c1ccccc1Cl)N1CCC(Oc2ncc(Cl)cn2)C1
InChIInChI=1S/C15H13Cl2N3O2/c16-10-7-18-15(19-8-10)22-11-5-6-20(9-11)14(21)12-3-1-2-4-13(12)17/h1-4,7-8,11H,5-6,9H2
InChIKeyUCIDVCDCKZSJKS-UHFFFAOYSA-N
MW338.19 g/mol
LogP3.08
Rot. Bonds3

About (2-chlorophenyl)-[3-(5-chloropyrimidin-2-yl)oxypyrrolidin-1-yl]methanone

(2-chlorophenyl)-[3-(5-chloropyrimidin-2-yl)oxypyrrolidin-1-yl]methanone (PubChem CID 119100517) has the molecular formula C15H13Cl2N3O2 and a molecular weight of 338.19 g/mol. Its IUPAC name is (2-chlorophenyl)-[3-(5-chloropyrimidin-2-yl)oxypyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(2-chlorophenyl)-[3-(5-chloropyrimidin-2-yl)oxypyrrolidin-1-yl]methanone
PubChem CID119100517
Molecular FormulaC15H13Cl2N3O2
Molecular Weight338.19 g/mol
Exact Mass337.04
IUPAC Name(2-chlorophenyl)-[3-(5-chloropyrimidin-2-yl)oxypyrrolidin-1-yl]methanone
SMILESO=C(c1ccccc1Cl)N1CCC(Oc2ncc(Cl)cn2)C1
InChIInChI=1S/C15H13Cl2N3O2/c16-10-7-18-15(19-8-10)22-11-5-6-20(9-11)14(21)12-3-1-2-4-13(12)17/h1-4,7-8,11H,5-6,9H2
InChIKeyUCIDVCDCKZSJKS-UHFFFAOYSA-N
XLogP3.08
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.19
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2-chlorophenyl)-[3-(5-chloropyrimidin-2-yl)oxypyrrolidin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[3-(5-chloropyrimidin-2-yl)oxypiperidin-1-yl]-(2-nitrophenyl)methanone
CID 122259334
[3-(5-chloropyrimidin-2-yl)oxypiperidin-1-yl]-(2-ethylsulfanylphenyl)methanone
CID 122259400
[3-(5-chloropyrimidin-2-yl)oxypyrrolidin-1-yl]-thiophen-3-ylmethanone
CID 119100531
(2-chlorophenyl)-[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]methanone
CID 90639091
(2-fluorophenyl)-(3-pyrimidin-2-yloxypyrrolidin-1-yl)methanone
CID 122243263
(2-chloro-6-fluorophenyl)-[(3S)-3-(5-fluoropyrimidin-2-yl)oxypyrrolidin-1-yl]methanone
CID 129355694
(2-chlorophenyl)-(3-quinolin-2-yloxypyrrolidin-1-yl)methanone
CID 91815832
1-[3-(5-chloropyrimidin-2-yl)oxypyrrolidin-1-yl]-2-phenylmethoxyethanone
CID 121017797
(3-chlorophenyl)-[3-(5-chloropyrimidin-2-yl)oxypiperidin-1-yl]methanone
CID 122259322
[3-(5-bromopyrimidin-2-yl)oxypyrrolidin-1-yl]-(2-phenoxyphenyl)methanone
CID 126852288
(2-fluorophenyl)-[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]methanone
CID 122258327
[3-(5-bromopyrimidin-2-yl)oxypiperidin-1-yl]-(2,5-dichlorophenyl)methanone
CID 122258823

Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl)-[3-(5-chloropyrimidin-2-yl)oxypyrrolidin-1-yl]methanone?
The IUPAC name of (2-chlorophenyl)-[3-(5-chloropyrimidin-2-yl)oxypyrrolidin-1-yl]methanone (CID 119100517) is (2-chlorophenyl)-[3-(5-chloropyrimidin-2-yl)oxypyrrolidin-1-yl]methanone.
What is the SMILES notation for (2-chlorophenyl)-[3-(5-chloropyrimidin-2-yl)oxypyrrolidin-1-yl]methanone?
The canonical SMILES for (2-chlorophenyl)-[3-(5-chloropyrimidin-2-yl)oxypyrrolidin-1-yl]methanone is O=C(c1ccccc1Cl)N1CCC(Oc2ncc(Cl)cn2)C1.
What is the InChIKey of (2-chlorophenyl)-[3-(5-chloropyrimidin-2-yl)oxypyrrolidin-1-yl]methanone?
The InChIKey is UCIDVCDCKZSJKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2N3O2/c16-10-7-18-15(19-8-10)22-11-5-6-20(9-11)14(21)12-3-1-2-4-13(12)17/h1-4,7-8,11H,5-6,9H2.
What are the key properties of (2-chlorophenyl)-[3-(5-chloropyrimidin-2-yl)oxypyrrolidin-1-yl]methanone?
(2-chlorophenyl)-[3-(5-chloropyrimidin-2-yl)oxypyrrolidin-1-yl]methanone has a molecular weight of 338.19 g/mol, XLogP of 3.08, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorophenyl)-[3-(5-chloropyrimidin-2-yl)oxypyrrolidin-1-yl]methanone is sourced from PubChem (CID 119100517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).